4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 613230-44-7) is a chemical compound with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-((4-(BENZYLOXY)-3-METHOXYBENZYLIDENE)AMINO)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL, 4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C23H20N4O2S |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 5.07749 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1307 |
| Heavy Atoms | 30 |
| Complexity | 1200.8676 |
Chemical Identifiers
| CAS Number | 613230-44-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3)OCC4=CC=CC=C4 |
Product Overview
4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 613230-44-7), with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol. IUPAC: 4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.07749 indicates that 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 613230-44-7.
What is the molecular formula of 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is C23H20N4O2S.
What is the molecular weight of 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 416.13 g/mol.
Where can I buy 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-(Benzyloxy)-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.